N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-nitro-benzenesulfonamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c22-21(23)17-8-3-4-9-18(17)26(24,25)19-11-5-12-20-13-10-15-6-1-2-7-16(15)14-20/h1-4,6-9,19H,5,10-14H2